4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane

C26H43B3O6 — CID 139203595

IUPAC4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)[C@@H](B2OC(C)(C)C(C)(C)O2)c2ccccc2)OC1(C)C
InChIInChI=1S/C26H43B3O6/c1-21(2)22(3,4)31-27(30-21)19(18-16-14-13-15-17-18)20(28-32-23(5,6)24(7,8)33-28)29-34-25(9,10)26(11,12)35-29/h13-17,19-20H,1-12H3/t19-/m0/s1
InChIKeyPDVAPUVCCXUUHP-IBGZPJMESA-N
MW484.06 g/mol
LogP5.50
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane (PubChem CID 139203595) has the molecular formula C26H43B3O6 and a molecular weight of 484.06 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
PubChem CID139203595
Molecular FormulaC26H43B3O6
Molecular Weight484.06 g/mol
Exact Mass484.33
IUPAC Name4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)[C@@H](B2OC(C)(C)C(C)(C)O2)c2ccccc2)OC1(C)C
InChIInChI=1S/C26H43B3O6/c1-21(2)22(3,4)31-27(30-21)19(18-16-14-13-15-17-18)20(28-32-23(5,6)24(7,8)33-28)29-34-25(9,10)26(11,12)35-29/h13-17,19-20H,1-12H3/t19-/m0/s1
InChIKeyPDVAPUVCCXUUHP-IBGZPJMESA-N
XLogP5.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.06
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5-tetramethyl-2-[(2-methylphenyl)-phenylmethyl]-1,3,2-dioxaborolane
CID 162398084
2-[(1S,2S)-2-deuterio-1-phenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139254233
4,4,5,5-tetramethyl-2-[(1R)-1-(4-phenylphenyl)ethyl]-1,3,2-dioxaborolane
CID 171477870
4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
CID 177451955
(3S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile
CID 101455172
4,4,5,5-tetramethyl-2-[2-methyl-1-(2-methylphenyl)propyl]-1,3,2-dioxaborolane
CID 101043912
4,4,5,5-tetramethyl-2-[(E)-4-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
CID 177491949
(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191111
propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 154665724
4-[phenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,6-di(propan-2-yl)phenol
CID 122381145
4,4,5,5-tetramethyl-2-[(1R)-1-(4-phenoxyphenyl)ethyl]-1,3,2-dioxaborolane
CID 171477859
(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 102452468

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane (CID 139203595) is 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane is CC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)[C@@H](B2OC(C)(C)C(C)(C)O2)c2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane?
The InChIKey is PDVAPUVCCXUUHP-IBGZPJMESA-N. The full InChI is InChI=1S/C26H43B3O6/c1-21(2)22(3,4)31-27(30-21)19(18-16-14-13-15-17-18)20(28-32-23(5,6)24(7,8)33-28)29-34-25(9,10)26(11,12)35-29/h13-17,19-20H,1-12H3/t19-/m0/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane has a molecular weight of 484.06 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 139203595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).